SCHEMBL9527779

SCHEMBL9527779

CC(C)(C)OC(=O)CN1CC(c2ccccc2)SCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.41
PLA2G5 P39877 2/20 0.41
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
RIPK1 Q13546 2/20 0.33
CCKBR P32239 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BACE1 P56817 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10378448 0.90 PLA2G10 (0.36) PLA2G10PLA2G5KMT2ASMN1; SMN2DDB1
SCHEMBL10378325 0.90 PLA2G10 (0.36) PLA2G10PLA2G5KMT2ASMN1; SMN2DDB1
SCHEMBL9526699 0.89 MEN1 (0.39) PLA2G10PLA2G5KMT2ASMN1; SMN2KDM4E
SCHEMBL10378471 0.87 PLA2G10 (0.36) PLA2G10PLA2G5KMT2ASMN1; SMN2DDB1
SCHEMBL10378315 0.87 PLA2G10 (0.36) PLA2G10PLA2G5KMT2ASMN1; SMN2DDB1
SCHEMBL10376351 0.86 PLA2G10 (0.36) PLA2G10PLA2G5KMT2ASMN1; SMN2KDM4E
SCHEMBL9527509 0.85 KMT2A (0.38) PLA2G10PLA2G5KMT2ADDB1CRBN
SCHEMBL9526436 0.83 PLA2G10 (0.43) PLA2G10PLA2G5RIPK1CCKBRKDM4E
SCHEMBL10635209 0.83 PLA2G10 (0.43) PLA2G10PLA2G5RIPK1CCKBRKDM4E
SCHEMBL9527202 0.78 PLA2G10 (0.42) PLA2G10PLA2G5DDB1CRBNRIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 US disclosed
EP-0161801-A2 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1985-11-21 EP disclosed